Crystallography Open Database

Information card for entry 7063692

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Coordinates	7063692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	I9 K2 Na O24
Calculated formula	I9 K2 Na O24
Title of publication	K2Na(I3O8)3: a promising mid-infrared birefringent material with two different structures of octaoxotriiodate(v) polyanions
Authors of publication	Lin, Min-Quan; Duan, Meng-Fan; Mao, Jiang-Gao; Yang, Bing-Ping
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	15
Pages of publication	6103 - 6108
a	11.604 ± 0.0011 Å
b	24.366 ± 0.002 Å
c	8.4503 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2389.3 ± 0.4 Å³
Cell temperature	296.3 ± 0.5 K
Ambient diffraction temperature	296.3 ± 0.5 K
Number of distinct elements	4
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0716
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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